Related papers: Ab initio theory of the interlayer exchange coupli…
In itinerant magnets, the indirect exchange coupling of Ruderman-Kittel-Kasuya-Yosida type is known to stabilize incommensurate spin spiral. Whereas an account of higher order spin interactions favors the formation of a noncoplanar magnetic…
We introduce an Eulerian approach for problems involving one or more soft solids immersed in a fluid, which permits mechanical interactions between all phases. The reference map variable is exploited to simulate finite-deformation…
When monolayers of two-dimensional (2D) materials are stacked into van der Waals structures, interlayer electronic coupling can introduce entirely new properties, as exemplified by recent discoveries of moir\'e bands that host highly…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
In the paper a study of a model magnetoelastic solid system is presented. The system of interest is a mean-field magnet with nearest-neighbour ferromagnetic interactions and the underlying s.c. crystalline lattice with the long-range Morse…
We studied the exchange coupling and decoupling occurring in a nanocomposite spin system based on a 3D Heisenberg model by means of Monte Carlo numerical computation simulation. Different from conventional micromagnetism approach which…
In this report we have analyzed a simple effective model for a description of magnetically ordered insulators. The Hamiltonian considered consists of the effective on-site interaction (U) and the intersite Ising-like magnetic exchange…
Rate coefficients of the Arrhenius-Neel form are calculated for thermally activated magnetic moment reversal for dual layer exchange-coupled composite (ECC) media based on the Langer formalism and are applied to study the sweep rate…
Nonequilibrium wetting transitions are observed in Monte Carlo simulations of a kinetic spin system in the absence of a detailed balance condition with respect to an energy functional. A nonthermal model is proposed starting from a…
A numerical method to calculate equilibrium vortex-line configurations in bulk anisotropic type-II superconductors, at zero temperature, placed in an external magnetic field is introduced and applied to two physical problems. The method is…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
Based on an invariant embedding principle for the backscattering function we calculate the electron emission yield for metal surfaces at very low electron impact energies. Solving the embedding equation within a quasi-isotropic…
Electrical current-induced deterministic magnetization switching in a magnetic multilayer structure without external magnetic field is realized by utilizing interlayer exchange coupling. Two ferromagnetic Co layers, with in-plane and…
We study, the interplay between topology and electron-electron interactions in the moir\'{e} MoTe\(_2\)/WSe\(_2\) heterobilayer. In our analysis we apply an effective two-band model with complex hoppings that incorporates the Ising-type…
A p-spin interaction Ashkin-Teller spin glass, with three independent Gaussian probability distributions for the exchange interactions, is studied by means of the replica method. A simple phase diagram is obtained within the…
Epitaxial superlattices of ferromagnetic/paramagnetic La$_{0.67}$Sr$_{0.33}$MnO$_3$/SrIrO$_3$ materials have been prepared on SrTiO$_3$ (100) substrate using pulse laser deposition technique. An unexpected onset of interface magnetic…
A deeper insight into electron elastic scattering off endohedral fullerenes $A$@C$_{60}$ is provided. The study accounts for polarization of both the encapsulated atom $A$ and C$_{60}$ cage by an incident electron. It is carried out in the…
We derive a set of equations expressing the parameters of the magnetic interactions characterizing a strongly correlated electronic system in terms of single-electron Green's functions and self-energies. This allows to establish a mapping…
We consider itinerant spinless fermions as moving defects in a dilute two-dimensional frustrated Ising system where they occupy site vacancies. Fermions interact via local spin fluctuations and we analyze coupled self-consistent mean-field…
We incorporate explicit, non-perturbative treatment of spin-orbit coupling into ab initio auxiliary-field quantum Monte Carlo (AFQMC) calculations. The approach allows a general computational framework for molecular and bulk systems in…